CID 146081992

2386799-13-7

Structural Information

Molecular Formula
C11H18O3
SMILES
CC(C)(C)OC1CC2(C1)CC2C(=O)O
InChI
InChI=1S/C11H18O3/c1-10(2,3)14-7-4-11(5-7)6-8(11)9(12)13/h7-8H,4-6H2,1-3H3,(H,12,13)
InChIKey
YYQKBUAWGZQNPD-UHFFFAOYSA-N
Compound name
5-[(2-methylpropan-2-yl)oxy]spiro[2.3]hexane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.1256 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.13288 144.3
[M+Na]+ 221.11482 151.6
[M-H]- 197.11832 149.8
[M+NH4]+ 216.15942 154.6
[M+K]+ 237.08876 153.0
[M+H-H2O]+ 181.12286 136.0
[M+HCOO]- 243.12380 161.5
[M+CH3COO]- 257.13945 189.1
[M+Na-2H]- 219.10027 149.1
[M]+ 198.12505 156.0
[M]- 198.12615 156.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.